2-[4-[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-[(5-chloro-2-thiophenyl)methyl-ethylamino]-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide Formula: C18H29ClN4O2S+2 MolecularWeight: 400.96646

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C18H27ClN4O2S/c1-2-23(11-15-5-6-16(19)26-15)18(25)13-22-9-7-21(8-10-22)12-17(24)20-14-3-4-14/h5-6,14H,2-4,7-13H2,1H3,(H,20,24)/p+2